CID 5399991

30065-38-4

Structural Information

Molecular Formula
C16H14N4OS
SMILES
C1=CC=C(C=C1)/C=N\NC(=O)CSC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H14N4OS/c21-15(20-17-10-12-6-2-1-3-7-12)11-22-16-18-13-8-4-5-9-14(13)19-16/h1-10H,11H2,(H,18,19)(H,20,21)/b17-10-
InChIKey
KDKVPKLISZJNRH-YVLHZVERSA-N
Compound name
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-benzylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08884 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09612 167.9
[M+Na]+ 333.07806 176.2
[M-H]- 309.08156 173.3
[M+NH4]+ 328.12266 182.6
[M+K]+ 349.05200 169.8
[M+H-H2O]+ 293.08610 159.2
[M+HCOO]- 355.08704 187.8
[M+CH3COO]- 369.10269 179.0
[M+Na-2H]- 331.06351 173.4
[M]+ 310.08829 170.5
[M]- 310.08939 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.